3-(3-Chlorophenoxy)propionic acid
Basic information
- CAS
7170-50-5- Standard SMILES
O=C(O)CCOc1cccc(Cl)c1- InChIKey
QSGKVNYPPAQLDO-UHFFFAOYSA-N- Molecular formula
- C9H9ClO3
- Average molar mass
- 200.62 g/mol
- Monoisotopic mass
- 200.0240218
Names & identifiers
- Preferred name
- 3-(3-Chlorophenoxy)propionic acid
- IUPAC
- 3-(3-chlorophenoxy)propanoic acid
- English name
- 3-(3-CHLORO-PHENOXY)-PROPIONIC ACID
- Molecular formula
- C9H9ClO3
- Molecular weight
- 200.62
Names & synonyms
3-(3-chlorophenoxy)propanoic acid7170-50-53-(3-Chlorophenoxy)propionic acidEINECS 230-522-6DTXSID90221924RefChem:491897DTXCID20144415230-522-63-(3-CHLORO-PHENOXY)-PROPIONIC ACIDMFCD001516733-(3-Chlorophenoxy)propionicAcidAN-584/13156516
Show more names
2-pentoxyacetonitrilePropanoic acid, 3-(3-chlorophenoxy)-
R2C6P3JK39SCHEMBL3728368SCHEMBL30025989QSGKVNYPPAQLDO-UHFFFAOYSA-NAC1669SBB092669AKOS000130665Propionic acid, 3-(m-chlorophenoxy)-
Database identifiers
- CAS
7170-50-5- PubChem CID
- 81599
- DTXSID
DTXSID90221924- UNII
- R2C6P3JK39
- EC Number
- 230-522-6
- Nikkaji
- J227.422A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Melting point
- 82 · 82-83 °C
- Boiling point
- 308.3 · 308.3±17.0 °C(Predicted)
- Density
- 1.311 · 1.311±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.17 · 4.17±0.10(Predicted)
- Appearance
- Off-white to light brown Solid
- FDA UNII
- 2 C6P3JK39 · R2C6P3JK39
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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